5ana

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5ana, resolution 2.250Å

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THE CRYSTAL STRUCTURE OF D(GTACGTAC) AT 2.25 ANGSTROMS RESOLUTION. ARE THE A-DNA'S ALWAYS UNWOUND APPROXIMATELY 10 DEGREES AT THE C-G STEPS

Overview

The structure of the self-complementary octamer d(GTACGTAC) has been, analyzed by a single crystal X-ray diffraction method at 2.25 A, resolution. The crystallographic R factor was 0.184 for all 1233, reflections at this resolution. In spite of the alternating, purine-pyrimidine sequence, d(GTACGTAC) adopts the A-form conformation, rather than the left-handed Z-form. The average helix twist and the mean, rise per base pair are 32.1 degrees and 3.18 A, respectively. The, d(GTACGTAC) helix is characterized by a wide open major groove and small, base-pair tilt (9.7 degrees). The partial unwinding of the helix is, observed only at the central pyrimidine-purine C-G step, but not at the, other pyrimidine-purine T-A steps. Based on this study and six other X-ray, studies, we propose a hypothesis that the A-DNA's are always unwound, approximately 10 degrees at the C-G steps. Significant differences in, base-pair stacking modes are seen between the purine-pyrimidine step and, the pyrimidine-purine step. All deoxyribose rings adopt the C3'-endo, conformation. All backbone torsion angles fall into the range expected for, the A-DNA form, except for the nucleotide G5, whose alpha and gamma, torsion angles adopt the trans, trans conformation instead of the common, gauche-, gauche+ conformation.

About this Structure

5ANA is a Protein complex structure of sequences from [1] with MG as ligand. Full crystallographic information is available from OCA.

Reference

The crystal structure of d(GTACGTAC) at 2.25 A resolution: are the A-DNA's always unwound approximately 10 degrees at the C-G steps?, Takusagawa F, J Biomol Struct Dyn. 1990 Feb;7(4):795-809. PMID:2310515

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